N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine

C13H27NO — CID 102795157

IUPACN-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine
SMILESCOC(C)C(C)NC1CCCC(C)CC1
InChIInChI=1S/C13H27NO/c1-10-6-5-7-13(9-8-10)14-11(2)12(3)15-4/h10-14H,5-9H2,1-4H3
InChIKeyOISQOOPDPQOJTE-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.97
Rot. Bonds4

About N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine

N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine (PubChem CID 102795157) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine
PubChem CID102795157
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC NameN-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine
SMILESCOC(C)C(C)NC1CCCC(C)CC1
InChIInChI=1S/C13H27NO/c1-10-6-5-7-13(9-8-10)14-11(2)12(3)15-4/h10-14H,5-9H2,1-4H3
InChIKeyOISQOOPDPQOJTE-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxybutan-2-yl)cyclobutanamine
CID 115889558
N-[(2R)-3-methoxybutan-2-yl]cyclobutanamine
CID 131222697
N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine
CID 65080149
N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine
CID 115892458
N-(3-methoxybutan-2-yl)-3,4-dimethylcyclohexan-1-amine
CID 104584846
N-(3-methoxybutan-2-yl)-2,6-dimethylcyclohexan-1-amine
CID 115713241
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide
CID 115889950
3-N-(4-methylcyclohexyl)butane-2,3-diamine
CID 130573950
4-methyl-N-pentan-3-ylcycloheptan-1-amine
CID 65081260
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine (CID 102795157) is N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine is COC(C)C(C)NC1CCCC(C)CC1.
What is the InChIKey of N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine?
The InChIKey is OISQOOPDPQOJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-6-5-7-13(9-8-10)14-11(2)12(3)15-4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine?
N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 102795157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).